USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 698 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 TYR OH : rot 120:sc=-0.00135 USER MOD Single : A 8 HIS : no HD1:sc= -0.46 X(o=-0.46,f=-0.33) USER MOD Single : A 9 SER OG : rot -140:sc= -0.776 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.47 USER MOD Single : A 22 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-0.36) USER MOD Single : A 24 ASN : amide:sc= -8.49! C(o=-8.5!,f=-12!) USER MOD Single : A 26 ASN : amide:sc= -0.779 X(o=-0.78,f=-1.2) USER MOD Single : A 28 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.55) USER MOD Single : A 29 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.26) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.592 USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= -1.97! (180deg=-2.27!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot -37:sc= 0.861 USER MOD Single : A 42 GLN : amide:sc= -3.98 K(o=-4,f=-2.4!) USER MOD Single : A 43 LYS NZ :NH3+ -113:sc= -3.37! (180deg=-6.2!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.0385 X(o=-0.039,f=0) USER MOD Single : A 65 ASN : amide:sc= -2.38! K(o=-2.4!,f=-0.23) USER MOD Single : A 70 THR OG1 : rot 68:sc= -1.32! USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -87:sc= -0.0371 USER MOD Single : A 79 THR OG1 : rot -149:sc= -2.8! USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 19 N TYR A 3 5.335 3.295 -14.830 1.00 0.00 N ATOM 20 CA TYR A 3 4.097 3.084 -14.090 1.00 0.00 C ATOM 21 C TYR A 3 3.967 4.090 -12.950 1.00 0.00 C ATOM 22 O TYR A 3 4.728 4.049 -11.984 1.00 0.00 O ATOM 23 CB TYR A 3 4.046 1.658 -13.535 1.00 0.00 C ATOM 24 CG TYR A 3 2.739 1.317 -12.858 1.00 0.00 C ATOM 25 CD1 TYR A 3 1.618 0.975 -13.604 1.00 0.00 C ATOM 26 CD2 TYR A 3 2.624 1.338 -11.473 1.00 0.00 C ATOM 27 CE1 TYR A 3 0.420 0.663 -12.990 1.00 0.00 C ATOM 28 CE2 TYR A 3 1.430 1.025 -10.852 1.00 0.00 C ATOM 29 CZ TYR A 3 0.331 0.689 -11.615 1.00 0.00 C ATOM 30 OH TYR A 3 -0.860 0.379 -11.001 1.00 0.00 O ATOM 0 HA TYR A 3 3.263 3.229 -14.777 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.218 0.954 -14.349 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.860 1.526 -12.822 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.684 0.953 -14.682 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.482 1.603 -10.873 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.442 0.400 -13.585 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.358 1.043 -9.775 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.734 -0.396 -10.414 1.00 0.00 H new ATOM 40 N TRP A 4 2.998 4.992 -13.071 1.00 0.00 N ATOM 41 CA TRP A 4 2.770 6.008 -12.049 1.00 0.00 C ATOM 42 C TRP A 4 1.285 6.352 -11.939 1.00 0.00 C ATOM 43 O TRP A 4 0.778 7.180 -12.697 1.00 0.00 O ATOM 44 CB TRP A 4 3.573 7.272 -12.367 1.00 0.00 C ATOM 45 CG TRP A 4 3.464 8.329 -11.310 1.00 0.00 C ATOM 46 CD1 TRP A 4 2.485 9.275 -11.191 1.00 0.00 C ATOM 47 CD2 TRP A 4 4.369 8.551 -10.222 1.00 0.00 C ATOM 48 NE1 TRP A 4 2.726 10.069 -10.096 1.00 0.00 N ATOM 49 CE2 TRP A 4 3.878 9.644 -9.485 1.00 0.00 C ATOM 50 CE3 TRP A 4 5.549 7.930 -9.800 1.00 0.00 C ATOM 51 CZ2 TRP A 4 4.523 10.129 -8.351 1.00 0.00 C ATOM 52 CZ3 TRP A 4 6.189 8.412 -8.674 1.00 0.00 C ATOM 53 CH2 TRP A 4 5.676 9.502 -7.960 1.00 0.00 C ATOM 0 H TRP A 4 2.359 5.040 -13.865 1.00 0.00 H new ATOM 0 HA TRP A 4 3.102 5.603 -11.093 1.00 0.00 H new ATOM 0 HB2 TRP A 4 4.622 7.004 -12.496 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.230 7.682 -13.317 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.644 9.383 -11.860 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.143 10.847 -9.788 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.953 7.089 -10.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 4.128 10.969 -7.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.101 7.940 -8.339 1.00 0.00 H new ATOM 0 HH2 TRP A 4 6.200 9.855 -7.084 1.00 0.00 H new ATOM 64 N PRO A 5 0.561 5.711 -11.002 1.00 0.00 N ATOM 65 CA PRO A 5 -0.869 5.966 -10.799 1.00 0.00 C ATOM 66 C PRO A 5 -1.135 7.395 -10.333 1.00 0.00 C ATOM 67 O PRO A 5 -0.206 8.185 -10.169 1.00 0.00 O ATOM 68 CB PRO A 5 -1.273 4.966 -9.707 1.00 0.00 C ATOM 69 CG PRO A 5 -0.178 3.955 -9.675 1.00 0.00 C ATOM 70 CD PRO A 5 1.069 4.686 -10.077 1.00 0.00 C ATOM 0 HA PRO A 5 -1.435 5.849 -11.723 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.380 5.460 -8.741 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.232 4.500 -9.935 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.074 3.523 -8.680 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.386 3.132 -10.359 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.573 5.130 -9.218 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.788 4.025 -10.561 1.00 0.00 H new ATOM 78 N ALA A 6 -2.406 7.719 -10.124 1.00 0.00 N ATOM 79 CA ALA A 6 -2.779 9.055 -9.670 1.00 0.00 C ATOM 80 C ALA A 6 -2.265 9.315 -8.257 1.00 0.00 C ATOM 81 O ALA A 6 -1.275 8.723 -7.831 1.00 0.00 O ATOM 82 CB ALA A 6 -4.289 9.229 -9.730 1.00 0.00 C ATOM 0 H ALA A 6 -3.190 7.081 -10.260 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.316 9.784 -10.335 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.554 10.230 -9.389 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.630 9.093 -10.756 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.766 8.489 -9.088 1.00 0.00 H new ATOM 88 N ARG A 7 -2.935 10.208 -7.535 1.00 0.00 N ATOM 89 CA ARG A 7 -2.530 10.536 -6.173 1.00 0.00 C ATOM 90 C ARG A 7 -3.398 9.813 -5.146 1.00 0.00 C ATOM 91 O ARG A 7 -3.175 9.934 -3.941 1.00 0.00 O ATOM 92 CB ARG A 7 -2.608 12.048 -5.946 1.00 0.00 C ATOM 93 CG ARG A 7 -1.682 12.846 -6.849 1.00 0.00 C ATOM 94 CD ARG A 7 -1.767 14.336 -6.557 1.00 0.00 C ATOM 95 NE ARG A 7 -0.864 15.113 -7.400 1.00 0.00 N ATOM 96 CZ ARG A 7 -0.636 16.413 -7.236 1.00 0.00 C ATOM 97 NH1 ARG A 7 -1.243 17.078 -6.263 1.00 0.00 N ATOM 98 NH2 ARG A 7 0.200 17.048 -8.046 1.00 0.00 N ATOM 0 H ARG A 7 -3.756 10.714 -7.868 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.500 10.204 -6.043 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.634 12.379 -6.108 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.363 12.264 -4.906 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.656 12.505 -6.712 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.942 12.663 -7.892 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.790 14.677 -6.712 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.527 14.514 -5.509 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.380 14.632 -8.158 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.887 16.593 -5.638 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.066 18.075 -6.139 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.669 16.539 -8.796 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.374 18.045 -7.919 1.00 0.00 H new ATOM 112 N HIS A 8 -4.389 9.065 -5.625 1.00 0.00 N ATOM 113 CA HIS A 8 -5.288 8.326 -4.740 1.00 0.00 C ATOM 114 C HIS A 8 -5.729 7.011 -5.377 1.00 0.00 C ATOM 115 O HIS A 8 -6.560 6.293 -4.821 1.00 0.00 O ATOM 116 CB HIS A 8 -6.521 9.170 -4.406 1.00 0.00 C ATOM 117 CG HIS A 8 -6.203 10.491 -3.776 1.00 0.00 C ATOM 118 ND1 HIS A 8 -6.095 10.669 -2.413 1.00 0.00 N ATOM 119 CD2 HIS A 8 -5.969 11.704 -4.332 1.00 0.00 C ATOM 120 CE1 HIS A 8 -5.811 11.934 -2.158 1.00 0.00 C ATOM 121 NE2 HIS A 8 -5.728 12.582 -3.304 1.00 0.00 N ATOM 0 H HIS A 8 -4.590 8.954 -6.619 1.00 0.00 H new ATOM 0 HA HIS A 8 -4.742 8.104 -3.823 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.089 9.342 -5.320 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.165 8.604 -3.733 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.972 11.937 -5.387 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -5.671 12.364 -1.177 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.519 13.575 -3.409 1.00 0.00 H new ATOM 130 N SER A 9 -5.170 6.701 -6.545 1.00 0.00 N ATOM 131 CA SER A 9 -5.510 5.471 -7.254 1.00 0.00 C ATOM 132 C SER A 9 -5.373 4.258 -6.341 1.00 0.00 C ATOM 133 O SER A 9 -4.617 4.285 -5.372 1.00 0.00 O ATOM 134 CB SER A 9 -4.616 5.295 -8.483 1.00 0.00 C ATOM 135 OG SER A 9 -4.842 6.324 -9.429 1.00 0.00 O ATOM 0 H SER A 9 -4.481 7.284 -7.019 1.00 0.00 H new ATOM 0 HA SER A 9 -6.548 5.549 -7.576 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.569 5.300 -8.179 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.810 4.326 -8.942 1.00 0.00 H new ATOM 0 HG SER A 9 -4.826 5.946 -10.333 1.00 0.00 H new ATOM 141 N GLY A 10 -6.109 3.197 -6.657 1.00 0.00 N ATOM 142 CA GLY A 10 -6.052 1.991 -5.851 1.00 0.00 C ATOM 143 C GLY A 10 -4.637 1.477 -5.676 1.00 0.00 C ATOM 144 O GLY A 10 -4.146 1.363 -4.555 1.00 0.00 O ATOM 0 H GLY A 10 -6.743 3.151 -7.455 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.486 2.192 -4.872 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.661 1.217 -6.317 1.00 0.00 H new ATOM 148 N ALA A 11 -3.980 1.171 -6.791 1.00 0.00 N ATOM 149 CA ALA A 11 -2.612 0.665 -6.763 1.00 0.00 C ATOM 150 C ALA A 11 -1.682 1.618 -6.015 1.00 0.00 C ATOM 151 O ALA A 11 -0.687 1.197 -5.423 1.00 0.00 O ATOM 152 CB ALA A 11 -2.112 0.430 -8.179 1.00 0.00 C ATOM 0 H ALA A 11 -4.374 1.265 -7.727 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.612 -0.284 -6.227 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.090 0.052 -8.146 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.753 -0.299 -8.675 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.134 1.368 -8.733 1.00 0.00 H new ATOM 158 N ARG A 12 -2.011 2.905 -6.050 1.00 0.00 N ATOM 159 CA ARG A 12 -1.215 3.925 -5.384 1.00 0.00 C ATOM 160 C ARG A 12 -1.336 3.801 -3.876 1.00 0.00 C ATOM 161 O ARG A 12 -0.340 3.715 -3.155 1.00 0.00 O ATOM 162 CB ARG A 12 -1.707 5.307 -5.812 1.00 0.00 C ATOM 163 CG ARG A 12 -0.627 6.369 -5.838 1.00 0.00 C ATOM 164 CD ARG A 12 -0.345 6.921 -4.450 1.00 0.00 C ATOM 165 NE ARG A 12 0.655 7.986 -4.482 1.00 0.00 N ATOM 166 CZ ARG A 12 0.578 9.092 -3.749 1.00 0.00 C ATOM 167 NH1 ARG A 12 -0.449 9.285 -2.935 1.00 0.00 N ATOM 168 NH2 ARG A 12 1.530 10.011 -3.834 1.00 0.00 N ATOM 0 H ARG A 12 -2.831 3.267 -6.537 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.171 3.791 -5.666 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.151 5.231 -6.805 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.498 5.625 -5.133 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.288 5.947 -6.254 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.932 7.182 -6.497 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.269 7.303 -4.016 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.002 6.116 -3.802 1.00 0.00 H new ATOM 0 HE ARG A 12 1.457 7.874 -5.102 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.186 8.583 -2.868 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.503 10.136 -2.375 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.321 9.869 -4.462 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.471 10.860 -3.272 1.00 0.00 H new ATOM 182 N VAL A 13 -2.576 3.791 -3.417 1.00 0.00 N ATOM 183 CA VAL A 13 -2.879 3.709 -2.004 1.00 0.00 C ATOM 184 C VAL A 13 -2.382 2.407 -1.374 1.00 0.00 C ATOM 185 O VAL A 13 -1.997 2.388 -0.205 1.00 0.00 O ATOM 186 CB VAL A 13 -4.397 3.841 -1.767 1.00 0.00 C ATOM 187 CG1 VAL A 13 -4.731 3.749 -0.288 1.00 0.00 C ATOM 188 CG2 VAL A 13 -4.911 5.145 -2.354 1.00 0.00 C ATOM 0 H VAL A 13 -3.400 3.840 -4.017 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.354 4.536 -1.525 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.893 3.012 -2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.808 3.845 -0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.401 2.786 0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.224 4.550 0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.984 5.225 -2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.403 5.984 -1.878 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.716 5.163 -3.426 1.00 0.00 H new ATOM 198 N ILE A 14 -2.384 1.323 -2.147 1.00 0.00 N ATOM 199 CA ILE A 14 -1.958 0.030 -1.625 1.00 0.00 C ATOM 200 C ILE A 14 -0.437 -0.074 -1.455 1.00 0.00 C ATOM 201 O ILE A 14 0.041 -0.441 -0.387 1.00 0.00 O ATOM 202 CB ILE A 14 -2.462 -1.139 -2.500 1.00 0.00 C ATOM 203 CG1 ILE A 14 -1.792 -1.137 -3.876 1.00 0.00 C ATOM 204 CG2 ILE A 14 -3.973 -1.080 -2.652 1.00 0.00 C ATOM 205 CD1 ILE A 14 -2.198 -2.303 -4.752 1.00 0.00 C ATOM 0 H ILE A 14 -2.672 1.315 -3.125 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.411 -0.046 -0.637 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.194 -2.067 -1.996 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.037 -0.207 -4.388 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.710 -1.153 -3.744 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.309 -1.911 -3.272 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.440 -1.147 -1.670 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.255 -0.139 -3.124 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.683 -2.234 -5.710 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.928 -3.238 -4.261 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.275 -2.277 -4.916 1.00 0.00 H new ATOM 217 N LEU A 15 0.326 0.244 -2.496 1.00 0.00 N ATOM 218 CA LEU A 15 1.780 0.134 -2.384 1.00 0.00 C ATOM 219 C LEU A 15 2.345 1.104 -1.348 1.00 0.00 C ATOM 220 O LEU A 15 3.327 0.797 -0.674 1.00 0.00 O ATOM 221 CB LEU A 15 2.448 0.361 -3.741 1.00 0.00 C ATOM 222 CG LEU A 15 1.935 -0.533 -4.869 1.00 0.00 C ATOM 223 CD1 LEU A 15 2.174 0.121 -6.219 1.00 0.00 C ATOM 224 CD2 LEU A 15 2.611 -1.894 -4.813 1.00 0.00 C ATOM 0 H LEU A 15 -0.020 0.569 -3.399 1.00 0.00 H new ATOM 0 HA LEU A 15 2.001 -0.879 -2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.306 1.402 -4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.521 0.204 -3.632 1.00 0.00 H new ATOM 0 HG LEU A 15 0.862 -0.671 -4.739 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.802 -0.530 -7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.650 1.076 -6.259 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.242 0.288 -6.359 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.236 -2.520 -5.622 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.689 -1.770 -4.920 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.394 -2.369 -3.856 1.00 0.00 H new ATOM 236 N LEU A 16 1.719 2.265 -1.210 1.00 0.00 N ATOM 237 CA LEU A 16 2.186 3.256 -0.265 1.00 0.00 C ATOM 238 C LEU A 16 1.929 2.798 1.163 1.00 0.00 C ATOM 239 O LEU A 16 2.786 2.915 2.047 1.00 0.00 O ATOM 240 CB LEU A 16 1.460 4.568 -0.524 1.00 0.00 C ATOM 241 CG LEU A 16 1.782 5.674 0.462 1.00 0.00 C ATOM 242 CD1 LEU A 16 3.248 6.057 0.372 1.00 0.00 C ATOM 243 CD2 LEU A 16 0.890 6.875 0.215 1.00 0.00 C ATOM 0 H LEU A 16 0.891 2.538 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 16 3.260 3.393 -0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.706 4.912 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.386 4.383 -0.505 1.00 0.00 H new ATOM 0 HG LEU A 16 1.591 5.310 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.461 6.852 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.866 5.189 0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.472 6.406 -0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.132 7.661 0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.049 7.244 -0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.154 6.584 0.335 1.00 0.00 H new ATOM 255 N VAL A 17 0.739 2.269 1.374 1.00 0.00 N ATOM 256 CA VAL A 17 0.334 1.795 2.679 1.00 0.00 C ATOM 257 C VAL A 17 1.115 0.545 3.078 1.00 0.00 C ATOM 258 O VAL A 17 1.521 0.402 4.233 1.00 0.00 O ATOM 259 CB VAL A 17 -1.179 1.540 2.699 1.00 0.00 C ATOM 260 CG1 VAL A 17 -1.544 0.233 2.028 1.00 0.00 C ATOM 261 CG2 VAL A 17 -1.712 1.585 4.113 1.00 0.00 C ATOM 0 H VAL A 17 0.031 2.157 0.649 1.00 0.00 H new ATOM 0 HA VAL A 17 0.562 2.566 3.415 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.649 2.339 2.125 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.624 0.094 2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.217 0.254 0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.054 -0.591 2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.786 1.402 4.103 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.219 0.820 4.712 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.516 2.566 4.545 1.00 0.00 H new ATOM 271 N LEU A 18 1.323 -0.358 2.123 1.00 0.00 N ATOM 272 CA LEU A 18 2.099 -1.561 2.384 1.00 0.00 C ATOM 273 C LEU A 18 3.525 -1.167 2.720 1.00 0.00 C ATOM 274 O LEU A 18 4.225 -1.867 3.447 1.00 0.00 O ATOM 275 CB LEU A 18 2.095 -2.481 1.158 1.00 0.00 C ATOM 276 CG LEU A 18 0.932 -3.465 1.066 1.00 0.00 C ATOM 277 CD1 LEU A 18 1.163 -4.646 1.991 1.00 0.00 C ATOM 278 CD2 LEU A 18 -0.392 -2.798 1.391 1.00 0.00 C ATOM 0 H LEU A 18 0.967 -0.279 1.170 1.00 0.00 H new ATOM 0 HA LEU A 18 1.653 -2.098 3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.092 -1.860 0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.026 -3.047 1.150 1.00 0.00 H new ATOM 0 HG LEU A 18 0.883 -3.821 0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.325 -5.338 1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.083 -5.157 1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.248 -4.292 3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.196 -3.530 1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.359 -2.399 2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.573 -1.986 0.687 1.00 0.00 H new ATOM 290 N TYR A 19 3.938 -0.026 2.178 1.00 0.00 N ATOM 291 CA TYR A 19 5.291 0.481 2.391 1.00 0.00 C ATOM 292 C TYR A 19 5.595 0.704 3.862 1.00 0.00 C ATOM 293 O TYR A 19 6.487 0.067 4.412 1.00 0.00 O ATOM 294 CB TYR A 19 5.492 1.785 1.619 1.00 0.00 C ATOM 295 CG TYR A 19 6.853 2.416 1.820 1.00 0.00 C ATOM 296 CD1 TYR A 19 7.964 1.959 1.124 1.00 0.00 C ATOM 297 CD2 TYR A 19 7.023 3.472 2.706 1.00 0.00 C ATOM 298 CE1 TYR A 19 9.206 2.536 1.304 1.00 0.00 C ATOM 299 CE2 TYR A 19 8.262 4.056 2.891 1.00 0.00 C ATOM 300 CZ TYR A 19 9.349 3.585 2.188 1.00 0.00 C ATOM 301 OH TYR A 19 10.585 4.162 2.369 1.00 0.00 O ATOM 0 H TYR A 19 3.355 0.567 1.587 1.00 0.00 H new ATOM 0 HA TYR A 19 5.982 -0.277 2.022 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.346 1.592 0.556 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.724 2.497 1.922 1.00 0.00 H new ATOM 0 HD1 TYR A 19 7.855 1.139 0.430 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.173 3.843 3.260 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.060 2.168 0.756 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.377 4.877 3.583 1.00 0.00 H new ATOM 0 HH TYR A 19 10.515 4.888 3.024 1.00 0.00 H new ATOM 311 N ARG A 20 4.841 1.580 4.511 1.00 0.00 N ATOM 312 CA ARG A 20 5.085 1.857 5.924 1.00 0.00 C ATOM 313 C ARG A 20 5.057 0.572 6.745 1.00 0.00 C ATOM 314 O ARG A 20 6.005 0.265 7.469 1.00 0.00 O ATOM 315 CB ARG A 20 4.039 2.852 6.445 1.00 0.00 C ATOM 316 CG ARG A 20 4.268 3.308 7.879 1.00 0.00 C ATOM 317 CD ARG A 20 3.677 2.337 8.889 1.00 0.00 C ATOM 318 NE ARG A 20 3.737 2.864 10.250 1.00 0.00 N ATOM 319 CZ ARG A 20 4.228 2.189 11.284 1.00 0.00 C ATOM 320 NH1 ARG A 20 4.712 0.967 11.113 1.00 0.00 N ATOM 321 NH2 ARG A 20 4.238 2.737 12.491 1.00 0.00 N ATOM 0 H ARG A 20 4.070 2.103 4.095 1.00 0.00 H new ATOM 0 HA ARG A 20 6.077 2.296 6.027 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.031 3.727 5.795 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.052 2.394 6.375 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.338 3.412 8.060 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.824 4.293 8.021 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.640 2.126 8.627 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.216 1.391 8.842 1.00 0.00 H new ATOM 0 HE ARG A 20 3.381 3.805 10.416 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.708 0.542 10.186 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.088 0.451 11.909 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.868 3.678 12.627 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.615 2.218 13.284 1.00 0.00 H new ATOM 335 N GLU A 21 3.963 -0.169 6.628 1.00 0.00 N ATOM 336 CA GLU A 21 3.861 -1.413 7.383 1.00 0.00 C ATOM 337 C GLU A 21 5.006 -2.358 7.024 1.00 0.00 C ATOM 338 O GLU A 21 5.445 -3.156 7.848 1.00 0.00 O ATOM 339 CB GLU A 21 2.519 -2.094 7.125 1.00 0.00 C ATOM 340 CG GLU A 21 2.071 -2.996 8.264 1.00 0.00 C ATOM 341 CD GLU A 21 3.062 -4.098 8.570 1.00 0.00 C ATOM 342 OE1 GLU A 21 3.249 -4.981 7.710 1.00 0.00 O ATOM 343 OE2 GLU A 21 3.649 -4.077 9.671 1.00 0.00 O ATOM 0 H GLU A 21 3.160 0.057 6.041 1.00 0.00 H new ATOM 0 HA GLU A 21 3.929 -1.169 8.443 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.759 -1.331 6.955 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.589 -2.683 6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.919 -2.393 9.159 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.108 -3.440 8.011 1.00 0.00 H new ATOM 350 N HIS A 22 5.491 -2.261 5.797 1.00 0.00 N ATOM 351 CA HIS A 22 6.599 -3.118 5.392 1.00 0.00 C ATOM 352 C HIS A 22 7.872 -2.681 6.100 1.00 0.00 C ATOM 353 O HIS A 22 8.722 -3.500 6.448 1.00 0.00 O ATOM 354 CB HIS A 22 6.787 -3.079 3.877 1.00 0.00 C ATOM 355 CG HIS A 22 8.039 -3.747 3.396 1.00 0.00 C ATOM 356 ND1 HIS A 22 8.061 -5.024 2.878 1.00 0.00 N ATOM 357 CD2 HIS A 22 9.317 -3.300 3.344 1.00 0.00 C ATOM 358 CE1 HIS A 22 9.296 -5.335 2.528 1.00 0.00 C ATOM 359 NE2 HIS A 22 10.077 -4.306 2.800 1.00 0.00 N ATOM 0 H HIS A 22 5.150 -1.619 5.081 1.00 0.00 H new ATOM 0 HA HIS A 22 6.371 -4.145 5.676 1.00 0.00 H new ATOM 0 HB2 HIS A 22 5.929 -3.556 3.403 1.00 0.00 H new ATOM 0 HB3 HIS A 22 6.795 -2.039 3.550 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.672 -2.333 3.670 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.613 -6.272 2.093 1.00 0.00 H new ATOM 0 HE2 HIS A 22 11.082 -4.265 2.633 1.00 0.00 H new ATOM 368 N LEU A 23 7.989 -1.376 6.307 1.00 0.00 N ATOM 369 CA LEU A 23 9.150 -0.824 6.983 1.00 0.00 C ATOM 370 C LEU A 23 9.000 -0.923 8.495 1.00 0.00 C ATOM 371 O LEU A 23 9.823 -0.394 9.239 1.00 0.00 O ATOM 372 CB LEU A 23 9.355 0.634 6.575 1.00 0.00 C ATOM 373 CG LEU A 23 10.073 0.833 5.242 1.00 0.00 C ATOM 374 CD1 LEU A 23 9.184 0.445 4.071 1.00 0.00 C ATOM 375 CD2 LEU A 23 10.552 2.269 5.104 1.00 0.00 C ATOM 0 H LEU A 23 7.297 -0.685 6.017 1.00 0.00 H new ATOM 0 HA LEU A 23 10.022 -1.406 6.685 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.382 1.122 6.523 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.924 1.138 7.356 1.00 0.00 H new ATOM 0 HG LEU A 23 10.942 0.176 5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.725 0.598 3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.903 -0.604 4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.286 1.063 4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.061 2.392 4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.697 2.944 5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.242 2.502 5.915 1.00 0.00 H new ATOM 387 N ASN A 24 7.948 -1.605 8.939 1.00 0.00 N ATOM 388 CA ASN A 24 7.696 -1.764 10.369 1.00 0.00 C ATOM 389 C ASN A 24 8.914 -2.323 11.103 1.00 0.00 C ATOM 390 O ASN A 24 9.241 -3.501 10.960 1.00 0.00 O ATOM 391 CB ASN A 24 6.501 -2.686 10.612 1.00 0.00 C ATOM 392 CG ASN A 24 5.277 -1.924 11.067 1.00 0.00 C ATOM 393 OD1 ASN A 24 4.391 -1.619 10.276 1.00 0.00 O ATOM 394 ND2 ASN A 24 5.231 -1.596 12.348 1.00 0.00 N ATOM 0 H ASN A 24 7.260 -2.054 8.334 1.00 0.00 H new ATOM 0 HA ASN A 24 7.479 -0.771 10.761 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.270 -3.228 9.695 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.765 -3.430 11.364 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.437 -1.069 12.711 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.990 -1.870 12.972 1.00 0.00 H new ATOM 401 N PRO A 25 9.604 -1.483 11.896 1.00 0.00 N ATOM 402 CA PRO A 25 10.773 -1.917 12.668 1.00 0.00 C ATOM 403 C PRO A 25 10.410 -3.019 13.649 1.00 0.00 C ATOM 404 O PRO A 25 11.066 -4.060 13.712 1.00 0.00 O ATOM 405 CB PRO A 25 11.194 -0.662 13.435 1.00 0.00 C ATOM 406 CG PRO A 25 10.596 0.474 12.680 1.00 0.00 C ATOM 407 CD PRO A 25 9.316 -0.053 12.096 1.00 0.00 C ATOM 0 HA PRO A 25 11.558 -2.320 12.028 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.830 -0.687 14.462 1.00 0.00 H new ATOM 0 HB3 PRO A 25 12.279 -0.575 13.483 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.406 1.323 13.336 1.00 0.00 H new ATOM 0 HG3 PRO A 25 11.270 0.821 11.897 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.473 0.098 12.770 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.067 0.443 11.158 1.00 0.00 H new ATOM 415 N ASN A 26 9.353 -2.772 14.413 1.00 0.00 N ATOM 416 CA ASN A 26 8.885 -3.734 15.397 1.00 0.00 C ATOM 417 C ASN A 26 7.424 -4.091 15.125 1.00 0.00 C ATOM 418 O ASN A 26 6.623 -4.233 16.048 1.00 0.00 O ATOM 419 CB ASN A 26 9.041 -3.164 16.809 1.00 0.00 C ATOM 420 CG ASN A 26 8.795 -4.200 17.890 1.00 0.00 C ATOM 421 OD1 ASN A 26 7.675 -4.352 18.379 1.00 0.00 O ATOM 422 ND2 ASN A 26 9.844 -4.922 18.267 1.00 0.00 N ATOM 0 H ASN A 26 8.805 -1.913 14.368 1.00 0.00 H new ATOM 0 HA ASN A 26 9.487 -4.640 15.321 1.00 0.00 H new ATOM 0 HB2 ASN A 26 10.046 -2.758 16.923 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.345 -2.335 16.941 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.739 -5.636 18.988 1.00 0.00 H new ATOM 0 HD22 ASN A 26 10.754 -4.763 17.835 1.00 0.00 H new ATOM 429 N GLY A 27 7.092 -4.245 13.846 1.00 0.00 N ATOM 430 CA GLY A 27 5.723 -4.576 13.488 1.00 0.00 C ATOM 431 C GLY A 27 5.641 -5.797 12.598 1.00 0.00 C ATOM 432 O GLY A 27 5.858 -6.921 13.050 1.00 0.00 O ATOM 0 H GLY A 27 7.736 -4.148 13.061 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.145 -4.751 14.395 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.268 -3.727 12.979 1.00 0.00 H new ATOM 436 N HIS A 28 5.326 -5.572 11.328 1.00 0.00 N ATOM 437 CA HIS A 28 5.215 -6.660 10.366 1.00 0.00 C ATOM 438 C HIS A 28 5.828 -6.246 9.033 1.00 0.00 C ATOM 439 O HIS A 28 6.576 -5.272 8.958 1.00 0.00 O ATOM 440 CB HIS A 28 3.744 -7.040 10.162 1.00 0.00 C ATOM 441 CG HIS A 28 2.956 -7.102 11.433 1.00 0.00 C ATOM 442 ND1 HIS A 28 2.388 -5.991 12.023 1.00 0.00 N ATOM 443 CD2 HIS A 28 2.636 -8.151 12.228 1.00 0.00 C ATOM 444 CE1 HIS A 28 1.757 -6.355 13.125 1.00 0.00 C ATOM 445 NE2 HIS A 28 1.891 -7.660 13.271 1.00 0.00 N ATOM 0 H HIS A 28 5.143 -4.646 10.941 1.00 0.00 H new ATOM 0 HA HIS A 28 5.754 -7.524 10.755 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.280 -6.315 9.493 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.694 -8.009 9.666 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.915 -9.182 12.070 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.222 -5.696 13.793 1.00 0.00 H new ATOM 0 HE2 HIS A 28 1.504 -8.214 14.035 1.00 0.00 H new ATOM 454 N HIS A 29 5.514 -6.995 7.984 1.00 0.00 N ATOM 455 CA HIS A 29 6.019 -6.700 6.649 1.00 0.00 C ATOM 456 C HIS A 29 4.947 -7.011 5.614 1.00 0.00 C ATOM 457 O HIS A 29 5.239 -7.265 4.446 1.00 0.00 O ATOM 458 CB HIS A 29 7.281 -7.517 6.359 1.00 0.00 C ATOM 459 CG HIS A 29 8.395 -7.270 7.329 1.00 0.00 C ATOM 460 ND1 HIS A 29 8.565 -8.006 8.483 1.00 0.00 N ATOM 461 CD2 HIS A 29 9.403 -6.365 7.312 1.00 0.00 C ATOM 462 CE1 HIS A 29 9.627 -7.564 9.134 1.00 0.00 C ATOM 463 NE2 HIS A 29 10.153 -6.569 8.443 1.00 0.00 N ATOM 0 H HIS A 29 4.909 -7.815 8.032 1.00 0.00 H new ATOM 0 HA HIS A 29 6.274 -5.642 6.597 1.00 0.00 H new ATOM 0 HB2 HIS A 29 7.028 -8.577 6.373 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.630 -7.285 5.353 1.00 0.00 H new ATOM 0 HD2 HIS A 29 9.583 -5.621 6.550 1.00 0.00 H new ATOM 0 HE1 HIS A 29 10.001 -7.950 10.071 1.00 0.00 H new ATOM 0 HE2 HIS A 29 10.983 -6.038 8.707 1.00 0.00 H new ATOM 472 N PHE A 30 3.701 -6.973 6.068 1.00 0.00 N ATOM 473 CA PHE A 30 2.551 -7.264 5.218 1.00 0.00 C ATOM 474 C PHE A 30 1.250 -6.922 5.936 1.00 0.00 C ATOM 475 O PHE A 30 1.259 -6.536 7.104 1.00 0.00 O ATOM 476 CB PHE A 30 2.539 -8.747 4.835 1.00 0.00 C ATOM 477 CG PHE A 30 2.481 -9.672 6.022 1.00 0.00 C ATOM 478 CD1 PHE A 30 1.281 -9.903 6.679 1.00 0.00 C ATOM 479 CD2 PHE A 30 3.623 -10.309 6.480 1.00 0.00 C ATOM 480 CE1 PHE A 30 1.222 -10.748 7.769 1.00 0.00 C ATOM 481 CE2 PHE A 30 3.569 -11.157 7.570 1.00 0.00 C ATOM 482 CZ PHE A 30 2.366 -11.377 8.215 1.00 0.00 C ATOM 0 H PHE A 30 3.458 -6.741 7.031 1.00 0.00 H new ATOM 0 HA PHE A 30 2.633 -6.654 4.318 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.682 -8.941 4.191 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.433 -8.971 4.253 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.381 -9.415 6.333 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.565 -10.141 5.980 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.281 -10.917 8.272 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.466 -11.648 7.918 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.322 -12.040 9.066 1.00 0.00 H new ATOM 492 N LEU A 31 0.132 -7.082 5.233 1.00 0.00 N ATOM 493 CA LEU A 31 -1.173 -6.804 5.811 1.00 0.00 C ATOM 494 C LEU A 31 -2.264 -7.597 5.100 1.00 0.00 C ATOM 495 O LEU A 31 -2.095 -8.014 3.953 1.00 0.00 O ATOM 496 CB LEU A 31 -1.481 -5.311 5.731 1.00 0.00 C ATOM 497 CG LEU A 31 -0.760 -4.438 6.758 1.00 0.00 C ATOM 498 CD1 LEU A 31 -1.111 -2.974 6.552 1.00 0.00 C ATOM 499 CD2 LEU A 31 -1.107 -4.876 8.175 1.00 0.00 C ATOM 0 H LEU A 31 0.107 -7.402 4.265 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.150 -7.109 6.857 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.223 -4.957 4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.555 -5.172 5.851 1.00 0.00 H new ATOM 0 HG LEU A 31 0.314 -4.559 6.616 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.589 -2.367 7.292 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.810 -2.665 5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.187 -2.838 6.665 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.583 -4.242 8.890 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.182 -4.787 8.330 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.804 -5.913 8.320 1.00 0.00 H new ATOM 511 N THR A 32 -3.381 -7.802 5.790 1.00 0.00 N ATOM 512 CA THR A 32 -4.503 -8.542 5.228 1.00 0.00 C ATOM 513 C THR A 32 -5.547 -7.591 4.650 1.00 0.00 C ATOM 514 O THR A 32 -5.665 -6.450 5.090 1.00 0.00 O ATOM 515 CB THR A 32 -5.166 -9.443 6.287 1.00 0.00 C ATOM 516 OG1 THR A 32 -5.700 -8.641 7.348 1.00 0.00 O ATOM 517 CG2 THR A 32 -4.162 -10.437 6.854 1.00 0.00 C ATOM 0 H THR A 32 -3.533 -7.465 6.741 1.00 0.00 H new ATOM 0 HA THR A 32 -4.107 -9.170 4.430 1.00 0.00 H new ATOM 0 HB THR A 32 -5.974 -9.997 5.808 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.121 -9.221 8.016 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.651 -11.063 7.600 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.777 -11.064 6.050 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.337 -9.896 7.319 1.00 0.00 H new ATOM 525 N LYS A 33 -6.303 -8.073 3.668 1.00 0.00 N ATOM 526 CA LYS A 33 -7.325 -7.231 3.042 1.00 0.00 C ATOM 527 C LYS A 33 -8.237 -6.585 4.080 1.00 0.00 C ATOM 528 O LYS A 33 -8.856 -5.554 3.815 1.00 0.00 O ATOM 529 CB LYS A 33 -8.162 -8.065 2.071 1.00 0.00 C ATOM 530 CG LYS A 33 -8.405 -7.387 0.730 1.00 0.00 C ATOM 531 CD LYS A 33 -9.236 -6.122 0.880 1.00 0.00 C ATOM 532 CE LYS A 33 -9.481 -5.451 -0.463 1.00 0.00 C ATOM 533 NZ LYS A 33 -10.346 -4.246 -0.332 1.00 0.00 N ATOM 0 H LYS A 33 -6.233 -9.019 3.293 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.814 -6.435 2.501 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.661 -9.018 1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.123 -8.289 2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.449 -7.141 0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.914 -8.079 0.059 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.191 -6.366 1.345 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.725 -5.427 1.547 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.527 -5.166 -0.906 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.949 -6.162 -1.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.697 -3.967 -1.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.152 -4.463 0.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.794 -3.465 0.077 1.00 0.00 H new ATOM 547 N GLU A 34 -8.317 -7.185 5.258 1.00 0.00 N ATOM 548 CA GLU A 34 -9.151 -6.649 6.326 1.00 0.00 C ATOM 549 C GLU A 34 -8.462 -5.484 7.028 1.00 0.00 C ATOM 550 O GLU A 34 -9.078 -4.450 7.283 1.00 0.00 O ATOM 551 CB GLU A 34 -9.485 -7.748 7.337 1.00 0.00 C ATOM 552 CG GLU A 34 -10.244 -8.919 6.735 1.00 0.00 C ATOM 553 CD GLU A 34 -11.578 -8.509 6.144 1.00 0.00 C ATOM 554 OE1 GLU A 34 -11.615 -8.163 4.944 1.00 0.00 O ATOM 555 OE2 GLU A 34 -12.587 -8.534 6.881 1.00 0.00 O ATOM 0 H GLU A 34 -7.817 -8.041 5.499 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.075 -6.280 5.881 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.560 -8.115 7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.077 -7.319 8.145 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.634 -9.382 5.959 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.408 -9.674 7.504 1.00 0.00 H new ATOM 562 N GLU A 35 -7.178 -5.656 7.338 1.00 0.00 N ATOM 563 CA GLU A 35 -6.428 -4.602 8.013 1.00 0.00 C ATOM 564 C GLU A 35 -6.138 -3.462 7.050 1.00 0.00 C ATOM 565 O GLU A 35 -6.092 -2.297 7.440 1.00 0.00 O ATOM 566 CB GLU A 35 -5.118 -5.156 8.578 1.00 0.00 C ATOM 567 CG GLU A 35 -5.313 -6.298 9.562 1.00 0.00 C ATOM 568 CD GLU A 35 -4.001 -6.826 10.109 1.00 0.00 C ATOM 569 OE1 GLU A 35 -3.431 -7.753 9.494 1.00 0.00 O ATOM 570 OE2 GLU A 35 -3.544 -6.314 11.152 1.00 0.00 O ATOM 0 H GLU A 35 -6.644 -6.501 7.136 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.032 -4.223 8.837 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.494 -5.501 7.754 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.576 -4.350 9.073 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.937 -5.958 10.389 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.850 -7.109 9.070 1.00 0.00 H new ATOM 577 N LEU A 36 -5.963 -3.820 5.787 1.00 0.00 N ATOM 578 CA LEU A 36 -5.664 -2.849 4.745 1.00 0.00 C ATOM 579 C LEU A 36 -6.744 -1.782 4.645 1.00 0.00 C ATOM 580 O LEU A 36 -6.457 -0.586 4.665 1.00 0.00 O ATOM 581 CB LEU A 36 -5.530 -3.568 3.412 1.00 0.00 C ATOM 582 CG LEU A 36 -4.317 -4.485 3.300 1.00 0.00 C ATOM 583 CD1 LEU A 36 -4.434 -5.409 2.096 1.00 0.00 C ATOM 584 CD2 LEU A 36 -3.039 -3.667 3.227 1.00 0.00 C ATOM 0 H LEU A 36 -6.023 -4.783 5.457 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.728 -2.353 5.001 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.431 -4.158 3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.480 -2.824 2.617 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.281 -5.107 4.194 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.554 -6.051 2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.327 -6.026 2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.504 -4.813 1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.183 -4.336 3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.073 -3.016 2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.943 -3.061 4.128 1.00 0.00 H new ATOM 596 N LEU A 37 -7.985 -2.231 4.528 1.00 0.00 N ATOM 597 CA LEU A 37 -9.127 -1.330 4.424 1.00 0.00 C ATOM 598 C LEU A 37 -9.074 -0.249 5.502 1.00 0.00 C ATOM 599 O LEU A 37 -9.476 0.891 5.273 1.00 0.00 O ATOM 600 CB LEU A 37 -10.430 -2.126 4.544 1.00 0.00 C ATOM 601 CG LEU A 37 -10.754 -3.029 3.352 1.00 0.00 C ATOM 602 CD1 LEU A 37 -11.992 -3.864 3.637 1.00 0.00 C ATOM 603 CD2 LEU A 37 -10.950 -2.197 2.093 1.00 0.00 C ATOM 0 H LEU A 37 -8.229 -3.221 4.502 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.089 -0.841 3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.380 -2.741 5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.253 -1.426 4.683 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.913 -3.704 3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.207 -4.500 2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.817 -4.486 4.515 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.840 -3.205 3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.180 -2.854 1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.773 -1.499 2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.037 -1.641 1.879 1.00 0.00 H new ATOM 615 N GLN A 38 -8.585 -0.618 6.680 1.00 0.00 N ATOM 616 CA GLN A 38 -8.474 0.341 7.773 1.00 0.00 C ATOM 617 C GLN A 38 -7.309 1.288 7.519 1.00 0.00 C ATOM 618 O GLN A 38 -7.395 2.491 7.770 1.00 0.00 O ATOM 619 CB GLN A 38 -8.281 -0.387 9.105 1.00 0.00 C ATOM 620 CG GLN A 38 -8.176 0.547 10.300 1.00 0.00 C ATOM 621 CD GLN A 38 -7.988 -0.198 11.608 1.00 0.00 C ATOM 622 OE1 GLN A 38 -6.862 -0.467 12.026 1.00 0.00 O ATOM 623 NE2 GLN A 38 -9.094 -0.536 12.260 1.00 0.00 N ATOM 0 H GLN A 38 -8.263 -1.560 6.902 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.396 0.920 7.825 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -9.116 -1.070 9.261 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.378 -0.995 9.049 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.339 1.229 10.151 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.077 1.157 10.360 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.007 -0.292 11.876 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.031 -1.039 13.145 1.00 0.00 H new ATOM 632 N ARG A 39 -6.222 0.720 7.013 1.00 0.00 N ATOM 633 CA ARG A 39 -5.014 1.475 6.709 1.00 0.00 C ATOM 634 C ARG A 39 -5.281 2.596 5.711 1.00 0.00 C ATOM 635 O ARG A 39 -4.940 3.753 5.952 1.00 0.00 O ATOM 636 CB ARG A 39 -3.966 0.536 6.130 1.00 0.00 C ATOM 637 CG ARG A 39 -3.634 -0.635 7.024 1.00 0.00 C ATOM 638 CD ARG A 39 -2.701 -0.225 8.150 1.00 0.00 C ATOM 639 NE ARG A 39 -2.551 -1.278 9.150 1.00 0.00 N ATOM 640 CZ ARG A 39 -1.780 -1.168 10.228 1.00 0.00 C ATOM 641 NH1 ARG A 39 -1.092 -0.054 10.444 1.00 0.00 N ATOM 642 NH2 ARG A 39 -1.697 -2.171 11.092 1.00 0.00 N ATOM 0 H ARG A 39 -6.153 -0.276 6.802 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.660 1.924 7.637 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.320 0.159 5.170 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.055 1.101 5.934 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.552 -1.047 7.442 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.170 -1.425 6.434 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.723 0.024 7.737 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.085 0.676 8.628 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.067 -2.147 9.014 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.154 0.720 9.783 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.501 0.028 11.271 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.225 -3.029 10.930 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.105 -2.085 11.918 1.00 0.00 H new ATOM 656 N CYS A 40 -5.889 2.234 4.588 1.00 0.00 N ATOM 657 CA CYS A 40 -6.193 3.200 3.532 1.00 0.00 C ATOM 658 C CYS A 40 -6.979 4.383 4.082 1.00 0.00 C ATOM 659 O CYS A 40 -6.857 5.504 3.587 1.00 0.00 O ATOM 660 CB CYS A 40 -6.974 2.533 2.399 1.00 0.00 C ATOM 661 SG CYS A 40 -8.672 2.088 2.828 1.00 0.00 S ATOM 0 H CYS A 40 -6.183 1.279 4.382 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.247 3.569 3.137 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.993 3.205 1.541 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -6.443 1.634 2.087 1.00 0.00 H new ATOM 0 HG CYS A 40 -8.715 1.679 4.061 1.00 0.00 H new ATOM 667 N ALA A 41 -7.791 4.125 5.102 1.00 0.00 N ATOM 668 CA ALA A 41 -8.590 5.180 5.716 1.00 0.00 C ATOM 669 C ALA A 41 -7.710 6.284 6.304 1.00 0.00 C ATOM 670 O ALA A 41 -8.220 7.271 6.835 1.00 0.00 O ATOM 671 CB ALA A 41 -9.496 4.600 6.791 1.00 0.00 C ATOM 0 H ALA A 41 -7.913 3.202 5.519 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.205 5.626 4.934 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.086 5.399 7.240 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.164 3.863 6.345 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.889 4.122 7.559 1.00 0.00 H new ATOM 677 N GLN A 42 -6.391 6.116 6.210 1.00 0.00 N ATOM 678 CA GLN A 42 -5.504 7.138 6.749 1.00 0.00 C ATOM 679 C GLN A 42 -4.996 8.020 5.613 1.00 0.00 C ATOM 680 O GLN A 42 -4.834 9.231 5.769 1.00 0.00 O ATOM 681 CB GLN A 42 -4.325 6.506 7.493 1.00 0.00 C ATOM 682 CG GLN A 42 -4.675 6.000 8.883 1.00 0.00 C ATOM 683 CD GLN A 42 -5.669 4.856 8.861 1.00 0.00 C ATOM 684 OE1 GLN A 42 -5.287 3.689 8.800 1.00 0.00 O ATOM 685 NE2 GLN A 42 -6.954 5.188 8.913 1.00 0.00 N ATOM 0 H GLN A 42 -5.929 5.313 5.782 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.064 7.745 7.461 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.937 5.676 6.902 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.524 7.241 7.575 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.764 5.674 9.385 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.086 6.821 9.470 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.225 6.170 8.963 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.669 4.461 8.903 1.00 0.00 H new ATOM 694 N LYS A 43 -4.747 7.387 4.466 1.00 0.00 N ATOM 695 CA LYS A 43 -4.268 8.082 3.276 1.00 0.00 C ATOM 696 C LYS A 43 -5.168 9.260 2.940 1.00 0.00 C ATOM 697 O LYS A 43 -6.277 9.076 2.438 1.00 0.00 O ATOM 698 CB LYS A 43 -4.230 7.126 2.093 1.00 0.00 C ATOM 699 CG LYS A 43 -3.626 7.741 0.846 1.00 0.00 C ATOM 700 CD LYS A 43 -2.836 6.708 0.077 1.00 0.00 C ATOM 701 CE LYS A 43 -2.116 7.309 -1.114 1.00 0.00 C ATOM 702 NZ LYS A 43 -3.054 7.988 -2.049 1.00 0.00 N ATOM 0 H LYS A 43 -4.872 6.383 4.338 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.263 8.452 3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.656 6.241 2.368 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.244 6.793 1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.416 8.148 0.215 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.978 8.573 1.121 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.109 6.241 0.741 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.507 5.921 -0.266 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.372 8.024 -0.764 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.578 6.524 -1.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.085 7.467 -2.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.005 8.012 -1.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.728 8.960 -2.223 1.00 0.00 H new ATOM 885 N PRO A 56 -9.247 -4.759 -5.617 1.00 0.00 N ATOM 886 CA PRO A 56 -9.051 -6.027 -6.330 1.00 0.00 C ATOM 887 C PRO A 56 -7.866 -5.963 -7.292 1.00 0.00 C ATOM 888 O PRO A 56 -7.396 -6.988 -7.785 1.00 0.00 O ATOM 889 CB PRO A 56 -10.359 -6.206 -7.101 1.00 0.00 C ATOM 890 CG PRO A 56 -11.376 -5.495 -6.279 1.00 0.00 C ATOM 891 CD PRO A 56 -10.661 -4.327 -5.656 1.00 0.00 C ATOM 0 HA PRO A 56 -8.828 -6.851 -5.652 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.291 -5.781 -8.103 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.610 -7.260 -7.218 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.210 -5.159 -6.895 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.789 -6.153 -5.514 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -10.786 -3.420 -6.247 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.041 -4.112 -4.657 1.00 0.00 H new ATOM 899 N ALA A 57 -7.391 -4.746 -7.551 1.00 0.00 N ATOM 900 CA ALA A 57 -6.256 -4.534 -8.440 1.00 0.00 C ATOM 901 C ALA A 57 -5.015 -5.258 -7.926 1.00 0.00 C ATOM 902 O ALA A 57 -4.059 -5.469 -8.673 1.00 0.00 O ATOM 903 CB ALA A 57 -5.974 -3.048 -8.590 1.00 0.00 C ATOM 0 H ALA A 57 -7.778 -3.890 -7.155 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.509 -4.946 -9.417 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.124 -2.905 -9.257 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.850 -2.552 -9.007 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.746 -2.621 -7.614 1.00 0.00 H new ATOM 909 N LEU A 58 -5.036 -5.635 -6.648 1.00 0.00 N ATOM 910 CA LEU A 58 -3.909 -6.339 -6.044 1.00 0.00 C ATOM 911 C LEU A 58 -3.478 -7.511 -6.913 1.00 0.00 C ATOM 912 O LEU A 58 -2.293 -7.680 -7.194 1.00 0.00 O ATOM 913 CB LEU A 58 -4.270 -6.836 -4.641 1.00 0.00 C ATOM 914 CG LEU A 58 -3.802 -5.942 -3.489 1.00 0.00 C ATOM 915 CD1 LEU A 58 -2.287 -5.812 -3.496 1.00 0.00 C ATOM 916 CD2 LEU A 58 -4.458 -4.573 -3.571 1.00 0.00 C ATOM 0 H LEU A 58 -5.817 -5.465 -6.015 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.079 -5.637 -5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.353 -6.943 -4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.843 -7.830 -4.504 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.102 -6.408 -2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.973 -5.173 -2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.837 -6.798 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.964 -5.371 -4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.112 -3.954 -2.744 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.192 -4.098 -4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.541 -4.684 -3.513 1.00 0.00 H new ATOM 928 N ARG A 59 -4.445 -8.318 -7.335 1.00 0.00 N ATOM 929 CA ARG A 59 -4.164 -9.467 -8.184 1.00 0.00 C ATOM 930 C ARG A 59 -3.389 -9.029 -9.422 1.00 0.00 C ATOM 931 O ARG A 59 -2.490 -9.730 -9.889 1.00 0.00 O ATOM 932 CB ARG A 59 -5.467 -10.154 -8.597 1.00 0.00 C ATOM 933 CG ARG A 59 -6.279 -10.672 -7.421 1.00 0.00 C ATOM 934 CD ARG A 59 -7.577 -11.317 -7.881 1.00 0.00 C ATOM 935 NE ARG A 59 -7.339 -12.453 -8.767 1.00 0.00 N ATOM 936 CZ ARG A 59 -8.310 -13.143 -9.358 1.00 0.00 C ATOM 937 NH1 ARG A 59 -9.579 -12.814 -9.158 1.00 0.00 N ATOM 938 NH2 ARG A 59 -8.011 -14.165 -10.150 1.00 0.00 N ATOM 0 H ARG A 59 -5.431 -8.197 -7.102 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.558 -10.176 -7.620 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.075 -9.450 -9.166 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.235 -10.986 -9.262 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.689 -11.398 -6.862 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.501 -9.850 -6.741 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.145 -11.648 -7.012 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.187 -10.576 -8.397 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.374 -12.733 -8.942 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.813 -12.030 -8.549 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.321 -13.345 -9.613 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.036 -14.421 -10.306 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.756 -14.694 -10.603 1.00 0.00 H new ATOM 952 N SER A 60 -3.747 -7.860 -9.944 1.00 0.00 N ATOM 953 CA SER A 60 -3.080 -7.325 -11.124 1.00 0.00 C ATOM 954 C SER A 60 -1.659 -6.873 -10.794 1.00 0.00 C ATOM 955 O SER A 60 -0.756 -6.986 -11.622 1.00 0.00 O ATOM 956 CB SER A 60 -3.877 -6.156 -11.703 1.00 0.00 C ATOM 957 OG SER A 60 -5.181 -6.564 -12.080 1.00 0.00 O ATOM 0 H SER A 60 -4.490 -7.269 -9.571 1.00 0.00 H new ATOM 0 HA SER A 60 -3.024 -8.121 -11.867 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.942 -5.356 -10.966 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.355 -5.750 -12.569 1.00 0.00 H new ATOM 0 HG SER A 60 -5.671 -5.798 -12.446 1.00 0.00 H new ATOM 963 N LEU A 61 -1.463 -6.361 -9.579 1.00 0.00 N ATOM 964 CA LEU A 61 -0.146 -5.894 -9.157 1.00 0.00 C ATOM 965 C LEU A 61 0.785 -7.063 -8.844 1.00 0.00 C ATOM 966 O LEU A 61 1.972 -7.017 -9.167 1.00 0.00 O ATOM 967 CB LEU A 61 -0.255 -4.953 -7.955 1.00 0.00 C ATOM 968 CG LEU A 61 -0.559 -3.499 -8.310 1.00 0.00 C ATOM 969 CD1 LEU A 61 -2.056 -3.238 -8.280 1.00 0.00 C ATOM 970 CD2 LEU A 61 0.176 -2.561 -7.367 1.00 0.00 C ATOM 0 H LEU A 61 -2.195 -6.260 -8.875 1.00 0.00 H new ATOM 0 HA LEU A 61 0.285 -5.336 -9.988 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.037 -5.322 -7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.680 -4.989 -7.396 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.208 -3.309 -9.324 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.249 -2.196 -8.536 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.553 -3.887 -9.001 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.441 -3.444 -7.281 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.050 -1.528 -7.632 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.144 -2.751 -6.342 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.250 -2.730 -7.449 1.00 0.00 H new ATOM 982 N LEU A 62 0.249 -8.106 -8.210 1.00 0.00 N ATOM 983 CA LEU A 62 1.051 -9.282 -7.894 1.00 0.00 C ATOM 984 C LEU A 62 1.720 -9.780 -9.164 1.00 0.00 C ATOM 985 O LEU A 62 2.856 -10.254 -9.150 1.00 0.00 O ATOM 986 CB LEU A 62 0.171 -10.392 -7.318 1.00 0.00 C ATOM 987 CG LEU A 62 -0.599 -10.042 -6.041 1.00 0.00 C ATOM 988 CD1 LEU A 62 -1.779 -10.985 -5.861 1.00 0.00 C ATOM 989 CD2 LEU A 62 0.313 -10.116 -4.825 1.00 0.00 C ATOM 0 H LEU A 62 -0.724 -8.159 -7.910 1.00 0.00 H new ATOM 0 HA LEU A 62 1.803 -9.011 -7.153 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.547 -10.692 -8.081 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.800 -11.258 -7.114 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.970 -9.022 -6.136 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.317 -10.725 -4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.449 -10.896 -6.716 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.417 -12.011 -5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.254 -9.864 -3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.711 -11.126 -4.730 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.136 -9.411 -4.944 1.00 0.00 H new ATOM 1001 N HIS A 63 0.984 -9.662 -10.263 1.00 0.00 N ATOM 1002 CA HIS A 63 1.468 -10.079 -11.568 1.00 0.00 C ATOM 1003 C HIS A 63 2.628 -9.198 -12.015 1.00 0.00 C ATOM 1004 O HIS A 63 3.591 -9.681 -12.610 1.00 0.00 O ATOM 1005 CB HIS A 63 0.329 -10.010 -12.585 1.00 0.00 C ATOM 1006 CG HIS A 63 0.717 -10.458 -13.960 1.00 0.00 C ATOM 1007 ND1 HIS A 63 0.520 -11.745 -14.416 1.00 0.00 N ATOM 1008 CD2 HIS A 63 1.290 -9.782 -14.985 1.00 0.00 C ATOM 1009 CE1 HIS A 63 0.955 -11.841 -15.660 1.00 0.00 C ATOM 1010 NE2 HIS A 63 1.426 -10.664 -16.029 1.00 0.00 N ATOM 0 H HIS A 63 0.040 -9.276 -10.272 1.00 0.00 H new ATOM 0 HA HIS A 63 1.826 -11.106 -11.500 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.498 -10.626 -12.232 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.037 -8.985 -12.637 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.585 -8.743 -14.982 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.930 -12.731 -16.271 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.826 -10.445 -16.941 1.00 0.00 H new ATOM 1019 N ARG A 64 2.531 -7.903 -11.724 1.00 0.00 N ATOM 1020 CA ARG A 64 3.582 -6.968 -12.094 1.00 0.00 C ATOM 1021 C ARG A 64 4.774 -7.112 -11.159 1.00 0.00 C ATOM 1022 O ARG A 64 5.797 -6.447 -11.330 1.00 0.00 O ATOM 1023 CB ARG A 64 3.053 -5.535 -12.062 1.00 0.00 C ATOM 1024 CG ARG A 64 1.854 -5.317 -12.967 1.00 0.00 C ATOM 1025 CD ARG A 64 1.492 -3.844 -13.072 1.00 0.00 C ATOM 1026 NE ARG A 64 0.334 -3.628 -13.935 1.00 0.00 N ATOM 1027 CZ ARG A 64 0.249 -2.642 -14.824 1.00 0.00 C ATOM 1028 NH1 ARG A 64 1.254 -1.791 -14.972 1.00 0.00 N ATOM 1029 NH2 ARG A 64 -0.841 -2.511 -15.567 1.00 0.00 N ATOM 0 H ARG A 64 1.740 -7.483 -11.236 1.00 0.00 H new ATOM 0 HA ARG A 64 3.908 -7.197 -13.109 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.778 -5.279 -11.039 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.851 -4.854 -12.357 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.071 -5.711 -13.960 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.001 -5.875 -12.582 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.282 -3.450 -12.078 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.344 -3.288 -13.462 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.455 -4.270 -13.851 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.095 -1.891 -14.404 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.187 -1.036 -15.654 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.615 -3.166 -15.457 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.906 -1.755 -16.249 1.00 0.00 H new ATOM 1043 N ASN A 65 4.627 -7.988 -10.168 1.00 0.00 N ATOM 1044 CA ASN A 65 5.683 -8.248 -9.201 1.00 0.00 C ATOM 1045 C ASN A 65 5.948 -7.036 -8.312 1.00 0.00 C ATOM 1046 O ASN A 65 7.070 -6.833 -7.850 1.00 0.00 O ATOM 1047 CB ASN A 65 6.968 -8.669 -9.913 1.00 0.00 C ATOM 1048 CG ASN A 65 7.805 -9.603 -9.067 1.00 0.00 C ATOM 1049 OD1 ASN A 65 9.034 -9.606 -9.149 1.00 0.00 O ATOM 1050 ND2 ASN A 65 7.137 -10.408 -8.249 1.00 0.00 N ATOM 0 H ASN A 65 3.778 -8.532 -10.016 1.00 0.00 H new ATOM 0 HA ASN A 65 5.345 -9.063 -8.561 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.717 -9.159 -10.854 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.552 -7.783 -10.161 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.643 -11.065 -7.654 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.118 -10.370 -8.215 1.00 0.00 H new ATOM 1057 N LEU A 66 4.914 -6.233 -8.078 1.00 0.00 N ATOM 1058 CA LEU A 66 5.050 -5.062 -7.216 1.00 0.00 C ATOM 1059 C LEU A 66 4.597 -5.412 -5.808 1.00 0.00 C ATOM 1060 O LEU A 66 5.029 -4.805 -4.827 1.00 0.00 O ATOM 1061 CB LEU A 66 4.236 -3.881 -7.741 1.00 0.00 C ATOM 1062 CG LEU A 66 4.341 -3.609 -9.245 1.00 0.00 C ATOM 1063 CD1 LEU A 66 3.902 -2.189 -9.550 1.00 0.00 C ATOM 1064 CD2 LEU A 66 5.759 -3.834 -9.749 1.00 0.00 C ATOM 0 H LEU A 66 3.982 -6.369 -8.468 1.00 0.00 H new ATOM 0 HA LEU A 66 6.100 -4.768 -7.207 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.188 -4.050 -7.495 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.549 -2.984 -7.207 1.00 0.00 H new ATOM 0 HG LEU A 66 3.683 -4.309 -9.760 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.981 -2.006 -10.622 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.868 -2.052 -9.233 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.542 -1.487 -9.014 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.801 -3.633 -10.819 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.441 -3.163 -9.227 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.052 -4.867 -9.562 1.00 0.00 H new ATOM 1076 N VAL A 67 3.712 -6.397 -5.727 1.00 0.00 N ATOM 1077 CA VAL A 67 3.197 -6.873 -4.453 1.00 0.00 C ATOM 1078 C VAL A 67 3.388 -8.381 -4.349 1.00 0.00 C ATOM 1079 O VAL A 67 3.763 -9.033 -5.324 1.00 0.00 O ATOM 1080 CB VAL A 67 1.708 -6.527 -4.272 1.00 0.00 C ATOM 1081 CG1 VAL A 67 1.533 -5.045 -3.981 1.00 0.00 C ATOM 1082 CG2 VAL A 67 0.921 -6.923 -5.501 1.00 0.00 C ATOM 0 H VAL A 67 3.334 -6.885 -6.539 1.00 0.00 H new ATOM 0 HA VAL A 67 3.756 -6.372 -3.663 1.00 0.00 H new ATOM 0 HB VAL A 67 1.326 -7.090 -3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.473 -4.821 -3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.068 -4.788 -3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.932 -4.462 -4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.130 -6.672 -5.357 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.307 -6.387 -6.368 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.018 -7.996 -5.665 1.00 0.00 H new ATOM 1092 N LEU A 68 3.130 -8.935 -3.173 1.00 0.00 N ATOM 1093 CA LEU A 68 3.298 -10.368 -2.962 1.00 0.00 C ATOM 1094 C LEU A 68 2.132 -10.944 -2.163 1.00 0.00 C ATOM 1095 O LEU A 68 1.861 -10.492 -1.056 1.00 0.00 O ATOM 1096 CB LEU A 68 4.610 -10.624 -2.219 1.00 0.00 C ATOM 1097 CG LEU A 68 5.313 -11.943 -2.554 1.00 0.00 C ATOM 1098 CD1 LEU A 68 6.667 -12.014 -1.864 1.00 0.00 C ATOM 1099 CD2 LEU A 68 4.453 -13.131 -2.151 1.00 0.00 C ATOM 0 H LEU A 68 2.806 -8.419 -2.355 1.00 0.00 H new ATOM 0 HA LEU A 68 3.322 -10.860 -3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.295 -9.803 -2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.411 -10.601 -1.148 1.00 0.00 H new ATOM 0 HG LEU A 68 5.468 -11.981 -3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.153 -12.957 -2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.290 -11.185 -2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.529 -11.950 -0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.972 -14.057 -2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.264 -13.096 -1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.505 -13.092 -2.687 1.00 0.00 H new ATOM 1111 N ARG A 69 1.455 -11.942 -2.735 1.00 0.00 N ATOM 1112 CA ARG A 69 0.318 -12.589 -2.074 1.00 0.00 C ATOM 1113 C ARG A 69 0.788 -13.727 -1.176 1.00 0.00 C ATOM 1114 O ARG A 69 1.836 -14.325 -1.418 1.00 0.00 O ATOM 1115 CB ARG A 69 -0.680 -13.124 -3.099 1.00 0.00 C ATOM 1116 CG ARG A 69 -0.028 -13.833 -4.270 1.00 0.00 C ATOM 1117 CD ARG A 69 -1.023 -14.712 -5.008 1.00 0.00 C ATOM 1118 NE ARG A 69 -0.413 -15.394 -6.146 1.00 0.00 N ATOM 1119 CZ ARG A 69 -1.080 -16.200 -6.967 1.00 0.00 C ATOM 1120 NH1 ARG A 69 -2.372 -16.426 -6.777 1.00 0.00 N ATOM 1121 NH2 ARG A 69 -0.452 -16.782 -7.981 1.00 0.00 N ATOM 0 H ARG A 69 1.675 -12.321 -3.656 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.177 -11.835 -1.462 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.363 -13.813 -2.603 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -1.280 -12.296 -3.475 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.389 -13.097 -4.957 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.803 -14.442 -3.912 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.433 -15.451 -4.320 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.857 -14.102 -5.355 1.00 0.00 H new ATOM 0 HE ARG A 69 0.581 -15.244 -6.321 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.859 -15.981 -5.999 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.880 -17.045 -7.409 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.542 -16.611 -8.131 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.964 -17.400 -8.611 1.00 0.00 H new ATOM 1135 N THR A 70 0.008 -14.030 -0.141 1.00 0.00 N ATOM 1136 CA THR A 70 0.394 -15.081 0.791 1.00 0.00 C ATOM 1137 C THR A 70 -0.767 -16.027 1.146 1.00 0.00 C ATOM 1138 O THR A 70 -1.855 -15.955 0.581 1.00 0.00 O ATOM 1139 CB THR A 70 0.999 -14.472 2.073 1.00 0.00 C ATOM 1140 OG1 THR A 70 1.713 -13.276 1.740 1.00 0.00 O ATOM 1141 CG2 THR A 70 1.961 -15.438 2.747 1.00 0.00 C ATOM 0 H THR A 70 -0.878 -13.571 0.070 1.00 0.00 H new ATOM 0 HA THR A 70 1.148 -15.684 0.284 1.00 0.00 H new ATOM 0 HB THR A 70 0.181 -14.256 2.760 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.079 -12.586 1.452 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.369 -14.977 3.647 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.431 -16.351 3.016 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.774 -15.679 2.062 1.00 0.00 H new ATOM 1149 N HIS A 71 -0.468 -16.944 2.059 1.00 0.00 N ATOM 1150 CA HIS A 71 -1.387 -17.973 2.550 1.00 0.00 C ATOM 1151 C HIS A 71 -2.874 -17.598 2.560 1.00 0.00 C ATOM 1152 O HIS A 71 -3.687 -18.310 1.972 1.00 0.00 O ATOM 1153 CB HIS A 71 -0.991 -18.280 3.982 1.00 0.00 C ATOM 1154 CG HIS A 71 -0.373 -19.627 4.175 1.00 0.00 C ATOM 1155 ND1 HIS A 71 -1.086 -20.805 4.114 1.00 0.00 N ATOM 1156 CD2 HIS A 71 0.909 -19.976 4.430 1.00 0.00 C ATOM 1157 CE1 HIS A 71 -0.268 -21.823 4.324 1.00 0.00 C ATOM 1158 NE2 HIS A 71 0.948 -21.345 4.518 1.00 0.00 N ATOM 0 H HIS A 71 0.453 -16.996 2.495 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.296 -18.811 1.858 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.289 -17.519 4.323 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.875 -18.205 4.615 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.746 -19.303 4.543 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.547 -22.866 4.335 1.00 0.00 H new ATOM 0 HE2 HIS A 71 1.781 -21.903 4.703 1.00 0.00 H new ATOM 1167 N GLN A 72 -3.210 -16.469 3.194 1.00 0.00 N ATOM 1168 CA GLN A 72 -4.628 -16.074 3.301 1.00 0.00 C ATOM 1169 C GLN A 72 -4.831 -15.012 4.390 1.00 0.00 C ATOM 1170 O GLN A 72 -4.195 -15.073 5.442 1.00 0.00 O ATOM 1171 CB GLN A 72 -5.520 -17.279 3.629 1.00 0.00 C ATOM 1172 CG GLN A 72 -5.110 -18.020 4.891 1.00 0.00 C ATOM 1173 CD GLN A 72 -6.008 -19.205 5.190 1.00 0.00 C ATOM 1174 OE1 GLN A 72 -5.750 -20.322 4.743 1.00 0.00 O ATOM 1175 NE2 GLN A 72 -7.072 -18.965 5.949 1.00 0.00 N ATOM 0 H GLN A 72 -2.547 -15.828 3.630 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.910 -15.663 2.332 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.550 -16.938 3.737 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.501 -17.973 2.789 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.081 -18.366 4.787 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.131 -17.331 5.735 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.247 -18.023 6.298 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.713 -19.723 6.182 1.00 0.00 H new ATOM 1184 N PRO A 73 -5.722 -14.019 4.156 1.00 0.00 N ATOM 1185 CA PRO A 73 -6.490 -13.887 2.908 1.00 0.00 C ATOM 1186 C PRO A 73 -5.577 -13.555 1.742 1.00 0.00 C ATOM 1187 O PRO A 73 -6.034 -13.230 0.646 1.00 0.00 O ATOM 1188 CB PRO A 73 -7.458 -12.728 3.184 1.00 0.00 C ATOM 1189 CG PRO A 73 -7.423 -12.525 4.661 1.00 0.00 C ATOM 1190 CD PRO A 73 -6.053 -12.949 5.106 1.00 0.00 C ATOM 0 HA PRO A 73 -7.004 -14.809 2.637 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.150 -11.825 2.656 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.465 -12.968 2.844 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.610 -11.482 4.916 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.194 -13.117 5.154 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.339 -12.127 5.056 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.054 -13.307 6.135 1.00 0.00 H new ATOM 1198 N ALA A 74 -4.280 -13.641 2.039 1.00 0.00 N ATOM 1199 CA ALA A 74 -3.196 -13.386 1.101 1.00 0.00 C ATOM 1200 C ALA A 74 -2.435 -12.150 1.534 1.00 0.00 C ATOM 1201 O ALA A 74 -2.718 -11.040 1.084 1.00 0.00 O ATOM 1202 CB ALA A 74 -3.669 -13.253 -0.342 1.00 0.00 C ATOM 0 H ALA A 74 -3.949 -13.898 2.969 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.537 -14.254 1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.813 -13.064 -0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.160 -14.176 -0.650 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.373 -12.424 -0.419 1.00 0.00 H new ATOM 1208 N ARG A 75 -1.473 -12.351 2.427 1.00 0.00 N ATOM 1209 CA ARG A 75 -0.680 -11.242 2.930 1.00 0.00 C ATOM 1210 C ARG A 75 0.037 -10.552 1.780 1.00 0.00 C ATOM 1211 O ARG A 75 0.676 -11.203 0.958 1.00 0.00 O ATOM 1212 CB ARG A 75 0.334 -11.751 3.958 1.00 0.00 C ATOM 1213 CG ARG A 75 -0.286 -12.615 5.045 1.00 0.00 C ATOM 1214 CD ARG A 75 0.756 -13.482 5.737 1.00 0.00 C ATOM 1215 NE ARG A 75 0.205 -14.178 6.897 1.00 0.00 N ATOM 1216 CZ ARG A 75 0.898 -15.035 7.642 1.00 0.00 C ATOM 1217 NH1 ARG A 75 2.163 -15.303 7.348 1.00 0.00 N ATOM 1218 NH2 ARG A 75 0.325 -15.625 8.682 1.00 0.00 N ATOM 0 H ARG A 75 -1.227 -13.263 2.813 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.340 -10.522 3.414 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.104 -12.326 3.443 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.829 -10.898 4.421 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.776 -11.978 5.781 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.057 -13.250 4.609 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.149 -14.212 5.029 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.594 -12.860 6.052 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.766 -13.997 7.150 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.607 -14.852 6.549 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.692 -15.961 7.921 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.648 -15.422 8.911 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.857 -16.282 9.253 1.00 0.00 H new ATOM 1232 N TYR A 76 -0.082 -9.232 1.721 1.00 0.00 N ATOM 1233 CA TYR A 76 0.569 -8.492 0.652 1.00 0.00 C ATOM 1234 C TYR A 76 1.874 -7.872 1.125 1.00 0.00 C ATOM 1235 O TYR A 76 1.980 -7.402 2.256 1.00 0.00 O ATOM 1236 CB TYR A 76 -0.371 -7.432 0.077 1.00 0.00 C ATOM 1237 CG TYR A 76 -1.549 -8.035 -0.656 1.00 0.00 C ATOM 1238 CD1 TYR A 76 -1.351 -8.850 -1.764 1.00 0.00 C ATOM 1239 CD2 TYR A 76 -2.854 -7.802 -0.238 1.00 0.00 C ATOM 1240 CE1 TYR A 76 -2.417 -9.415 -2.437 1.00 0.00 C ATOM 1241 CE2 TYR A 76 -3.927 -8.363 -0.906 1.00 0.00 C ATOM 1242 CZ TYR A 76 -3.703 -9.167 -2.004 1.00 0.00 C ATOM 1243 OH TYR A 76 -4.769 -9.729 -2.670 1.00 0.00 O ATOM 0 H TYR A 76 -0.610 -8.664 2.384 1.00 0.00 H new ATOM 0 HA TYR A 76 0.812 -9.196 -0.144 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.736 -6.799 0.885 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.186 -6.789 -0.605 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.345 -9.045 -2.105 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -3.033 -7.173 0.622 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.245 -10.046 -3.296 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.935 -8.172 -0.570 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.605 -9.456 -2.238 1.00 0.00 H new ATOM 1253 N SER A 77 2.868 -7.888 0.247 1.00 0.00 N ATOM 1254 CA SER A 77 4.177 -7.340 0.574 1.00 0.00 C ATOM 1255 C SER A 77 4.775 -6.615 -0.623 1.00 0.00 C ATOM 1256 O SER A 77 4.627 -7.052 -1.764 1.00 0.00 O ATOM 1257 CB SER A 77 5.119 -8.454 1.033 1.00 0.00 C ATOM 1258 OG SER A 77 4.614 -9.110 2.184 1.00 0.00 O ATOM 0 H SER A 77 2.793 -8.273 -0.694 1.00 0.00 H new ATOM 0 HA SER A 77 4.051 -6.623 1.385 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.251 -9.177 0.228 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.102 -8.036 1.251 1.00 0.00 H new ATOM 0 HG SER A 77 4.909 -8.634 2.988 1.00 0.00 H new ATOM 1264 N LEU A 78 5.452 -5.508 -0.353 1.00 0.00 N ATOM 1265 CA LEU A 78 6.072 -4.710 -1.402 1.00 0.00 C ATOM 1266 C LEU A 78 7.343 -5.364 -1.930 1.00 0.00 C ATOM 1267 O LEU A 78 8.246 -5.694 -1.161 1.00 0.00 O ATOM 1268 CB LEU A 78 6.420 -3.321 -0.874 1.00 0.00 C ATOM 1269 CG LEU A 78 5.243 -2.395 -0.582 1.00 0.00 C ATOM 1270 CD1 LEU A 78 5.744 -0.977 -0.395 1.00 0.00 C ATOM 1271 CD2 LEU A 78 4.213 -2.448 -1.697 1.00 0.00 C ATOM 0 H LEU A 78 5.586 -5.140 0.589 1.00 0.00 H new ATOM 0 HA LEU A 78 5.352 -4.634 -2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.999 -3.438 0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.069 -2.831 -1.600 1.00 0.00 H new ATOM 0 HG LEU A 78 4.759 -2.731 0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.901 -0.318 -0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.444 -0.946 0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.247 -0.646 -1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.386 -1.778 -1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.675 -2.138 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.837 -3.466 -1.797 1.00 0.00 H new ATOM 1283 N THR A 79 7.407 -5.547 -3.242 1.00 0.00 N ATOM 1284 CA THR A 79 8.588 -6.123 -3.861 1.00 0.00 C ATOM 1285 C THR A 79 9.544 -4.992 -4.256 1.00 0.00 C ATOM 1286 O THR A 79 9.227 -3.828 -4.024 1.00 0.00 O ATOM 1287 CB THR A 79 8.191 -6.963 -5.089 1.00 0.00 C ATOM 1288 OG1 THR A 79 6.788 -6.835 -5.331 1.00 0.00 O ATOM 1289 CG2 THR A 79 8.534 -8.432 -4.884 1.00 0.00 C ATOM 0 H THR A 79 6.659 -5.306 -3.893 1.00 0.00 H new ATOM 0 HA THR A 79 9.090 -6.784 -3.155 1.00 0.00 H new ATOM 0 HB THR A 79 8.752 -6.592 -5.947 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.448 -7.664 -5.728 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.242 -9.000 -5.767 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.607 -8.536 -4.724 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.998 -8.813 -4.014 1.00 0.00 H new ATOM 1297 N PRO A 80 10.722 -5.289 -4.843 1.00 0.00 N ATOM 1298 CA PRO A 80 11.681 -4.248 -5.237 1.00 0.00 C ATOM 1299 C PRO A 80 11.035 -3.053 -5.933 1.00 0.00 C ATOM 1300 O PRO A 80 11.293 -1.905 -5.572 1.00 0.00 O ATOM 1301 CB PRO A 80 12.589 -4.991 -6.209 1.00 0.00 C ATOM 1302 CG PRO A 80 12.619 -6.383 -5.686 1.00 0.00 C ATOM 1303 CD PRO A 80 11.243 -6.643 -5.133 1.00 0.00 C ATOM 0 HA PRO A 80 12.184 -3.815 -4.372 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.198 -4.956 -7.226 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.587 -4.554 -6.236 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.863 -7.093 -6.477 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.379 -6.494 -4.912 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.615 -7.169 -5.852 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.282 -7.258 -4.234 1.00 0.00 H new ATOM 1311 N GLU A 81 10.197 -3.321 -6.925 1.00 0.00 N ATOM 1312 CA GLU A 81 9.531 -2.254 -7.660 1.00 0.00 C ATOM 1313 C GLU A 81 8.536 -1.508 -6.777 1.00 0.00 C ATOM 1314 O GLU A 81 8.554 -0.279 -6.717 1.00 0.00 O ATOM 1315 CB GLU A 81 8.823 -2.819 -8.888 1.00 0.00 C ATOM 1316 CG GLU A 81 9.768 -3.302 -9.977 1.00 0.00 C ATOM 1317 CD GLU A 81 10.662 -4.438 -9.520 1.00 0.00 C ATOM 1318 OE1 GLU A 81 10.181 -5.590 -9.468 1.00 0.00 O ATOM 1319 OE2 GLU A 81 11.844 -4.176 -9.213 1.00 0.00 O ATOM 0 H GLU A 81 9.963 -4.263 -7.238 1.00 0.00 H new ATOM 0 HA GLU A 81 10.293 -1.545 -7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.187 -3.648 -8.579 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.168 -2.052 -9.303 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.185 -3.629 -10.838 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.388 -2.469 -10.309 1.00 0.00 H new ATOM 1326 N GLY A 82 7.665 -2.250 -6.097 1.00 0.00 N ATOM 1327 CA GLY A 82 6.693 -1.601 -5.232 1.00 0.00 C ATOM 1328 C GLY A 82 7.362 -0.783 -4.151 1.00 0.00 C ATOM 1329 O GLY A 82 6.819 0.221 -3.696 1.00 0.00 O ATOM 0 H GLY A 82 7.614 -3.268 -6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.048 -0.956 -5.829 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.053 -2.355 -4.774 1.00 0.00 H new ATOM 1333 N LEU A 83 8.547 -1.219 -3.742 1.00 0.00 N ATOM 1334 CA LEU A 83 9.302 -0.523 -2.716 1.00 0.00 C ATOM 1335 C LEU A 83 9.790 0.813 -3.251 1.00 0.00 C ATOM 1336 O LEU A 83 9.599 1.854 -2.622 1.00 0.00 O ATOM 1337 CB LEU A 83 10.496 -1.372 -2.270 1.00 0.00 C ATOM 1338 CG LEU A 83 10.643 -1.565 -0.758 1.00 0.00 C ATOM 1339 CD1 LEU A 83 10.772 -0.227 -0.048 1.00 0.00 C ATOM 1340 CD2 LEU A 83 9.462 -2.341 -0.203 1.00 0.00 C ATOM 0 H LEU A 83 9.004 -2.054 -4.108 1.00 0.00 H new ATOM 0 HA LEU A 83 8.653 -0.350 -1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.416 -2.353 -2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.408 -0.912 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 83 11.554 -2.136 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.875 -0.393 1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.651 0.299 -0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.882 0.373 -0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.584 -2.469 0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.541 -1.793 -0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.412 -3.319 -0.681 1.00 0.00 H new ATOM 1352 N GLU A 84 10.420 0.770 -4.419 1.00 0.00 N ATOM 1353 CA GLU A 84 10.931 1.989 -5.037 1.00 0.00 C ATOM 1354 C GLU A 84 9.802 2.973 -5.273 1.00 0.00 C ATOM 1355 O GLU A 84 9.856 4.117 -4.824 1.00 0.00 O ATOM 1356 CB GLU A 84 11.626 1.678 -6.363 1.00 0.00 C ATOM 1357 CG GLU A 84 12.876 0.832 -6.210 1.00 0.00 C ATOM 1358 CD GLU A 84 13.538 0.525 -7.539 1.00 0.00 C ATOM 1359 OE1 GLU A 84 13.192 -0.508 -8.151 1.00 0.00 O ATOM 1360 OE2 GLU A 84 14.405 1.316 -7.968 1.00 0.00 O ATOM 0 H GLU A 84 10.588 -0.083 -4.952 1.00 0.00 H new ATOM 0 HA GLU A 84 11.658 2.432 -4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.925 1.161 -7.018 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.889 2.615 -6.854 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.586 1.352 -5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.619 -0.103 -5.712 1.00 0.00 H new ATOM 1367 N LEU A 85 8.776 2.513 -5.976 1.00 0.00 N ATOM 1368 CA LEU A 85 7.638 3.354 -6.264 1.00 0.00 C ATOM 1369 C LEU A 85 7.040 3.902 -4.977 1.00 0.00 C ATOM 1370 O LEU A 85 6.814 5.103 -4.852 1.00 0.00 O ATOM 1371 CB LEU A 85 6.592 2.548 -7.032 1.00 0.00 C ATOM 1372 CG LEU A 85 6.775 2.516 -8.551 1.00 0.00 C ATOM 1373 CD1 LEU A 85 5.742 1.604 -9.194 1.00 0.00 C ATOM 1374 CD2 LEU A 85 6.678 3.920 -9.131 1.00 0.00 C ATOM 0 H LEU A 85 8.714 1.567 -6.352 1.00 0.00 H new ATOM 0 HA LEU A 85 7.964 4.197 -6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.602 1.524 -6.660 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.607 2.958 -6.810 1.00 0.00 H new ATOM 0 HG LEU A 85 7.767 2.121 -8.768 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.888 1.594 -10.274 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.856 0.593 -8.803 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.741 1.971 -8.966 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.811 3.877 -10.212 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.699 4.341 -8.902 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.455 4.548 -8.695 1.00 0.00 H new ATOM 1386 N ALA A 86 6.817 3.018 -4.009 1.00 0.00 N ATOM 1387 CA ALA A 86 6.231 3.428 -2.736 1.00 0.00 C ATOM 1388 C ALA A 86 6.987 4.596 -2.120 1.00 0.00 C ATOM 1389 O ALA A 86 6.376 5.540 -1.622 1.00 0.00 O ATOM 1390 CB ALA A 86 6.186 2.259 -1.769 1.00 0.00 C ATOM 0 H ALA A 86 7.030 2.023 -4.079 1.00 0.00 H new ATOM 0 HA ALA A 86 5.212 3.760 -2.936 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.746 2.584 -0.826 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.582 1.458 -2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.198 1.895 -1.591 1.00 0.00 H new ATOM 1396 N GLN A 87 8.316 4.530 -2.145 1.00 0.00 N ATOM 1397 CA GLN A 87 9.122 5.611 -1.595 1.00 0.00 C ATOM 1398 C GLN A 87 8.751 6.917 -2.280 1.00 0.00 C ATOM 1399 O GLN A 87 8.733 7.981 -1.663 1.00 0.00 O ATOM 1400 CB GLN A 87 10.614 5.326 -1.786 1.00 0.00 C ATOM 1401 CG GLN A 87 11.115 4.132 -0.994 1.00 0.00 C ATOM 1402 CD GLN A 87 12.588 3.856 -1.225 1.00 0.00 C ATOM 1403 OE1 GLN A 87 12.957 3.105 -2.127 1.00 0.00 O ATOM 1404 NE2 GLN A 87 13.440 4.466 -0.408 1.00 0.00 N ATOM 0 H GLN A 87 8.849 3.752 -2.534 1.00 0.00 H new ATOM 0 HA GLN A 87 8.923 5.689 -0.526 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.809 5.156 -2.845 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.183 6.209 -1.494 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.944 4.308 0.068 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.536 3.250 -1.268 1.00 0.00 H new ATOM 0 HE21 GLN A 87 13.090 5.081 0.327 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.444 4.319 -0.516 1.00 0.00 H new ATOM 1413 N LYS A 88 8.454 6.811 -3.569 1.00 0.00 N ATOM 1414 CA LYS A 88 8.070 7.972 -4.358 1.00 0.00 C ATOM 1415 C LYS A 88 6.671 8.449 -3.984 1.00 0.00 C ATOM 1416 O LYS A 88 6.461 9.627 -3.694 1.00 0.00 O ATOM 1417 CB LYS A 88 8.116 7.619 -5.842 1.00 0.00 C ATOM 1418 CG LYS A 88 9.358 6.833 -6.236 1.00 0.00 C ATOM 1419 CD LYS A 88 9.355 6.464 -7.710 1.00 0.00 C ATOM 1420 CE LYS A 88 10.478 5.490 -8.041 1.00 0.00 C ATOM 1421 NZ LYS A 88 10.501 5.141 -9.489 1.00 0.00 N ATOM 0 H LYS A 88 8.472 5.934 -4.089 1.00 0.00 H new ATOM 0 HA LYS A 88 8.773 8.779 -4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.230 7.037 -6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.074 8.537 -6.428 1.00 0.00 H new ATOM 0 HG2 LYS A 88 10.247 7.423 -6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 88 9.418 5.925 -5.635 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.396 6.019 -7.973 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.464 7.366 -8.313 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.435 5.929 -7.758 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.357 4.582 -7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.279 4.476 -9.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.598 4.699 -9.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.642 6.004 -10.052 1.00 0.00 H new ATOM 1435 N LEU A 89 5.717 7.524 -4.001 1.00 0.00 N ATOM 1436 CA LEU A 89 4.343 7.844 -3.651 1.00 0.00 C ATOM 1437 C LEU A 89 4.285 8.468 -2.263 1.00 0.00 C ATOM 1438 O LEU A 89 3.363 9.215 -1.933 1.00 0.00 O ATOM 1439 CB LEU A 89 3.495 6.570 -3.683 1.00 0.00 C ATOM 1440 CG LEU A 89 3.094 6.078 -5.077 1.00 0.00 C ATOM 1441 CD1 LEU A 89 4.313 5.816 -5.947 1.00 0.00 C ATOM 1442 CD2 LEU A 89 2.247 4.820 -4.970 1.00 0.00 C ATOM 0 H LEU A 89 5.873 6.548 -4.254 1.00 0.00 H new ATOM 0 HA LEU A 89 3.950 8.559 -4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.047 5.775 -3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.588 6.744 -3.104 1.00 0.00 H new ATOM 0 HG LEU A 89 2.507 6.865 -5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.991 5.468 -6.929 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.886 6.737 -6.058 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.937 5.055 -5.479 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.970 4.482 -5.968 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.818 4.039 -4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.346 5.036 -4.397 1.00 0.00 H new ATOM 1454 N ALA A 90 5.288 8.142 -1.461 1.00 0.00 N ATOM 1455 CA ALA A 90 5.371 8.643 -0.093 1.00 0.00 C ATOM 1456 C ALA A 90 5.846 10.090 -0.040 1.00 0.00 C ATOM 1457 O ALA A 90 5.476 10.841 0.865 1.00 0.00 O ATOM 1458 CB ALA A 90 6.292 7.750 0.719 1.00 0.00 C ATOM 0 H ALA A 90 6.058 7.531 -1.733 1.00 0.00 H new ATOM 0 HA ALA A 90 4.369 8.622 0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.354 8.124 1.741 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.898 6.734 0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.286 7.750 0.272 1.00 0.00 H new ATOM 1464 N GLU A 91 6.668 10.476 -1.008 1.00 0.00 N ATOM 1465 CA GLU A 91 7.192 11.837 -1.060 1.00 0.00 C ATOM 1466 C GLU A 91 6.049 12.842 -1.092 1.00 0.00 C ATOM 1467 O GLU A 91 6.080 13.867 -0.412 1.00 0.00 O ATOM 1468 CB GLU A 91 8.073 12.033 -2.291 1.00 0.00 C ATOM 1469 CG GLU A 91 9.014 10.876 -2.538 1.00 0.00 C ATOM 1470 CD GLU A 91 9.848 11.056 -3.792 1.00 0.00 C ATOM 1471 OE1 GLU A 91 9.326 10.790 -4.896 1.00 0.00 O ATOM 1472 OE2 GLU A 91 11.021 11.466 -3.670 1.00 0.00 O ATOM 0 H GLU A 91 6.986 9.870 -1.765 1.00 0.00 H new ATOM 0 HA GLU A 91 7.794 12.000 -0.166 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.438 12.170 -3.166 1.00 0.00 H new ATOM 0 HB3 GLU A 91 8.654 12.947 -2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.676 10.762 -1.680 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.437 9.955 -2.620 1.00 0.00 H new ATOM 1479 N SER A 92 5.046 12.531 -1.901 1.00 0.00 N ATOM 1480 CA SER A 92 3.883 13.392 -2.045 1.00 0.00 C ATOM 1481 C SER A 92 3.157 13.583 -0.714 1.00 0.00 C ATOM 1482 O SER A 92 2.567 14.636 -0.467 1.00 0.00 O ATOM 1483 CB SER A 92 2.935 12.795 -3.081 1.00 0.00 C ATOM 1484 OG SER A 92 1.801 13.621 -3.277 1.00 0.00 O ATOM 0 H SER A 92 5.016 11.685 -2.470 1.00 0.00 H new ATOM 0 HA SER A 92 4.222 14.373 -2.378 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.461 12.666 -4.027 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.615 11.805 -2.756 1.00 0.00 H new ATOM 0 HG SER A 92 1.212 13.215 -3.947 1.00 0.00 H new ATOM 1490 N GLU A 93 3.204 12.566 0.143 1.00 0.00 N ATOM 1491 CA GLU A 93 2.545 12.646 1.438 1.00 0.00 C ATOM 1492 C GLU A 93 3.459 13.300 2.465 1.00 0.00 C ATOM 1493 O GLU A 93 3.090 13.457 3.629 1.00 0.00 O ATOM 1494 CB GLU A 93 2.171 11.246 1.914 1.00 0.00 C ATOM 1495 CG GLU A 93 1.403 10.437 0.887 1.00 0.00 C ATOM 1496 CD GLU A 93 0.018 10.991 0.621 1.00 0.00 C ATOM 1497 OE1 GLU A 93 -0.931 10.579 1.319 1.00 0.00 O ATOM 1498 OE2 GLU A 93 -0.118 11.840 -0.286 1.00 0.00 O ATOM 0 H GLU A 93 3.687 11.686 -0.036 1.00 0.00 H new ATOM 0 HA GLU A 93 1.645 13.251 1.330 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.080 10.708 2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.572 11.328 2.821 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.966 10.414 -0.046 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.317 9.407 1.233 1.00 0.00 H new ATOM 1505 N GLY A 94 4.653 13.679 2.025 1.00 0.00 N ATOM 1506 CA GLY A 94 5.603 14.286 2.934 1.00 0.00 C ATOM 1507 C GLY A 94 6.318 13.236 3.756 1.00 0.00 C ATOM 1508 O GLY A 94 7.195 13.550 4.563 1.00 0.00 O ATOM 0 H GLY A 94 4.977 13.578 1.063 1.00 0.00 H new ATOM 0 HA2 GLY A 94 6.331 14.868 2.369 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.085 14.980 3.596 1.00 0.00 H new ATOM 1512 N LEU A 95 5.923 11.981 3.545 1.00 0.00 N ATOM 1513 CA LEU A 95 6.516 10.858 4.258 1.00 0.00 C ATOM 1514 C LEU A 95 6.165 10.926 5.742 1.00 0.00 C ATOM 1515 O LEU A 95 7.037 10.986 6.608 1.00 0.00 O ATOM 1516 CB LEU A 95 8.036 10.832 4.039 1.00 0.00 C ATOM 1517 CG LEU A 95 8.730 9.474 4.237 1.00 0.00 C ATOM 1518 CD1 LEU A 95 8.776 9.082 5.705 1.00 0.00 C ATOM 1519 CD2 LEU A 95 8.034 8.394 3.423 1.00 0.00 C ATOM 0 H LEU A 95 5.192 11.719 2.883 1.00 0.00 H new ATOM 0 HA LEU A 95 6.106 9.929 3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 95 8.242 11.177 3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.492 11.552 4.719 1.00 0.00 H new ATOM 0 HG LEU A 95 9.757 9.573 3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 95 9.273 8.117 5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.328 9.836 6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.760 9.011 6.095 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.539 7.440 3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.995 8.310 3.743 1.00 0.00 H new ATOM 0 HD23 LEU A 95 8.068 8.657 2.366 1.00 0.00 H new ATOM 1531 N SER A 96 4.866 10.957 6.016 1.00 0.00 N ATOM 1532 CA SER A 96 4.398 11.000 7.394 1.00 0.00 C ATOM 1533 C SER A 96 4.020 9.602 7.866 1.00 0.00 C ATOM 1534 O SER A 96 4.075 9.303 9.059 1.00 0.00 O ATOM 1535 CB SER A 96 3.200 11.942 7.523 1.00 0.00 C ATOM 1536 OG SER A 96 2.732 11.992 8.861 1.00 0.00 O ATOM 0 H SER A 96 4.128 10.953 5.312 1.00 0.00 H new ATOM 0 HA SER A 96 5.205 11.377 8.022 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.483 12.942 7.196 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.397 11.607 6.866 1.00 0.00 H new ATOM 0 HG SER A 96 1.967 12.602 8.917 1.00 0.00 H new ATOM 1542 N LEU A 97 3.630 8.757 6.915 1.00 0.00 N ATOM 1543 CA LEU A 97 3.249 7.383 7.233 1.00 0.00 C ATOM 1544 C LEU A 97 4.218 6.761 8.233 1.00 0.00 C ATOM 1545 O LEU A 97 3.864 6.527 9.389 1.00 0.00 O ATOM 1546 CB LEU A 97 3.210 6.536 5.958 1.00 0.00 C ATOM 1547 CG LEU A 97 2.547 7.200 4.748 1.00 0.00 C ATOM 1548 CD1 LEU A 97 3.548 8.064 3.988 1.00 0.00 C ATOM 1549 CD2 LEU A 97 1.942 6.148 3.833 1.00 0.00 C ATOM 0 H LEU A 97 3.570 8.996 5.925 1.00 0.00 H new ATOM 0 HA LEU A 97 2.256 7.406 7.683 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.232 6.268 5.689 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.683 5.607 6.175 1.00 0.00 H new ATOM 0 HG LEU A 97 1.747 7.847 5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.055 8.526 3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.933 8.841 4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.373 7.443 3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.474 6.635 2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.725 5.475 3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.192 5.578 4.380 1.00 0.00 H new